2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate
TL;DR: 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate (CAS 336173-47-8) is a chemical compound with molecular formula C28H22N2O2S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate
Also Known As: 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate, BAS 01094789, (2,6-dimethylphenyl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate, 2,6-dimethylphenyl 2-(3-cyano-4,6-diphenyl-2-pyridylthio)acetate, 2,6-dimethylphenyl [(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate
| Molecular Formula | C28H22N2O2S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 6.60182 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.1402 |
| Heavy Atoms | 33 |
| Complexity | 1309.3562 |
Chemical Identifiers
| CAS Number | 336173-47-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N |
Product Overview
2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate (CAS 336173-47-8), with molecular formula C28H22N2O2S and molecular weight 450.14 g/mol. IUPAC: (2,6-dimethylphenyl) 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate
Property Insights of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate
The XLogP value of 6.60182 indicates that 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate?
The CAS number of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate is 336173-47-8.
What is the molecular formula of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate?
The molecular formula of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate is C28H22N2O2S.
What is the molecular weight of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate?
The molecular weight of 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate is 450.14 g/mol.
Where can I buy 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate?
You can request a quote for 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.